HuagongsheHuagongshe Chemistry Print Report · For research reference only
Dibenzazepinone-d4
Dibenzazepinone-d4 · Dibenzazepinone-d4 (Major) · 5,11-Dihydro-10H-dibenz[b,f]azepin-10-one-d4 · 5,11-Dihydro-10H-dibenzo[b,f]azepin-10-one-1,2,3,4-d4
Identifiers & Physical Properties
| CAS No. | 1189706-86-2 |
|---|---|
| Molecular formula | C14H11NO |
| Average molar mass | 213.27 g/mol |
| Monoisotopic mass | 213.10917096 g/mol |
| SMILES | [2H]c1c([2H])c([2H])c2c(c1[2H])CC(=O)c1ccccc1N2 |
| InChIKey | VSZGCLXGCOECAY-DNZPNURCSA-N |
| PubChem CID | 45038941 |
| DTXSID | DTXSID50661903 |
Chemical & Physical Properties
| XLogP | 2.9 |
|---|---|
| Topological polar surface area | 29.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 276 |
| Melting point | 137-139°C |
| Storage conditions | -20°C Freezer |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Physical state | Solid |
| Color | Yellow to Orange |
Applications & Uses
Uses
Dibenzazepinone-d4 (cas# 1189706-86-2) is a compound useful in organic synthesis.